(1s 2 2s 2 3p 1 ) 2 P B 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 3p | .416072 | -1.07525306 |
| 2 | 2p | .900564 | .37859769 |
| 3 | 2p | 3.254033 | .03004782 |
| 4 | 4p | 3.491193 | .01999686 |
| 5 | 5p | 1.706505 | -.04956265 |
| 6 | 3p | 22.180329 | .00001091 |
| 7 | 4p | .225294 | -.00110232 |
| ORB.ENERGY,a.u. | -.078683 | ||
| NORM | 1.000000 | < R > | 8.750955 | < R2 > | 87.653951 | < 1/R > | .153979 | < 1/R**2 > | .056493 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 4.600843 | .23336586 |
| 2 | 2s | 1.356256 | -.75260340 |
| 3 | 3s | 2.453509 | -.25361571 |
| 4 | 4s | 6.405899 | .01488855 |
| 5 | 3s | 7.012236 | .00731052 |
| 6 | 5s | 2.214936 | -.04637563 |
| 7 | 5s | 28.079146 | -.00004695 |
| ORB.ENERGY,a.u. | -.678160 | ||
| NORM | 1.000000 | < R > | 1.806678 | < R2 > | 3.863851 | < 1/R > | .776386 | < 1/R**2 > | 2.390551 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.208668 | .73076095 |
| 2 | 1s | 7.046274 | .22010313 |
| 3 | 2s | 5.699867 | .07665598 |
| 4 | 3s | 5.142957 | -.01396154 |
| 5 | 4s | 8.636258 | .00433448 |
| 6 | 5s | 21.618172 | -.00006548 |
| 7 | 3s | 16.241478 | -.00032709 |
| ORB.ENERGY,a.u. | -7.788900 |
| NORM | 1.000000 | < R > | .325327 | < R2 > | .142748 | < 1/R > | 4.678694 | < 1/R**2 > | 44.598337 |
Total Energy= -24.31626159 a.u.
Kinetic Energy= 24.31626202 a.u.
Potential Energy= -48.63252361 a.u.
Virial Ratio = -1.99999998